Chemical Properties of 2-Phenylbutyramide, N-hexadecyl-

InChI

InChI=1S/C26H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-26(28)25(4-2)24-21-18-17-19-22-24/h17-19,21-22,25H,3-16,20,23H2,1-2H3,(H,27,28)

InChI Key

IINWNPMGYPEKHE-UHFFFAOYSA-N

Formula

C26H45NO

SMILES

CCCCCCCCCCCCCCCCN=C(O)C(CC)c1ccccc1

Molecular Weight¹

387.64

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1853		Relay (1.0) Calculated Property
ΔfG°	183.46	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-486.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	134.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-7.33		Relay (1.0) Calculated Property
logPoct/wat	8.618		Crippen Calculated Property
McVol	364.990	ml/mol	McGowan Calculated Property
Pc	873.77	kPa	Joback Calculated Property
Inp	[1257.00; 1257.00]
Inp	1257.00		NIST
Inp	1257.00		NIST
Tboil	680.52	K	Relay (1.0) Calculated Property
Tc	900.48	K	Relay (1.0) Calculated Property
Tfus	383.76	K	Relay (1.0) Calculated Property
Vc	1.344	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylbutyramide, N-hexadecyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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